Geometry & MOs

Info

ID:	339075
PubChem CID:	127260327
Reduced:	NO5H11C16 (1)
Stoich.:	AB5C11D16 (1)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	6.75
IP(EA), eV:	-10.59(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations